Monomers

N,N-diethylbuta-1,3-dien-1-amine

Identifiers

IUPAC name
N,N-diethylbuta-1,3-dien-1-amine
InchI
InChI=1S/C8H15N/c1-4-7-8-9(5-2)6-3/h4,7-8H,1,5-6H2,2-3H3
InchI Key
HUNXXGIRNGEBFU-UHFFFAOYSA-N
SMILES
CCN(C=CC=C)CC
Canonical SMILES
CCN(CC)C=CC=C
Isomeric SMILES
CCN(CC)C=CC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H15N
Heavy Atom Count
9
Molecular Weight
125.215
Exact Molecular Weight
125.1204
Valence Electrons
52
Radical Electrons
0
tPSA
3.24
MolLogP
2.0279
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 24 23  0  0  0  0  0  0  0  0999 V2000
   -2.5850   -1.3414   -0.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2903   -1.2611    0.4247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4433   -0.1459    0.1029 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7748   -0.3644   -0.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9528   -0.0655   -0.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2036   -0.2817   -0.7746 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3857    0.0085   -0.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8025    1.1944    0.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9578    1.7887   -0.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4761   -1.3549    0.4005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7486   -0.5545   -1.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6721   -2.3499   -0.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7354   -2.2429    0.2943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379   -1.2810    1.5280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7307   -0.7938   -1.5820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9861    0.3608    0.9067 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1328   -0.7182   -1.7786 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5486    0.4384    0.6993 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2697   -0.1847   -0.8719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0687    1.2532    1.5777 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1093    1.8445    0.3932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8789    2.9161   -0.0847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9601    1.5199    0.1315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375    1.6153   -1.3489 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  3
  3  8  1  0
  8  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  4 15  1  0
  5 16  1  0
  6 17  1  0
  7 18  1  0
  7 19  1  0
  8 20  1  0
  8 21  1  0
  9 22  1  0
  9 23  1  0
  9 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers